135602

Source:http://linkedlifedata.com/resource/chembl/compound/135602

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H21ClN2O/c1-21(2)12-14-11-19-15-7-5-8-17(20)16(15)10-13-6-3-4-9-18(13)22(19)23-14/h3-9,14,19H,10-12H2,1-2H3
chemicalCompound:standardIn...	YDCWINJIBUMKOY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CC1CC2N(O1)c3ccccc3Cc4c(Cl)cccc24
chemicalCompound:molecularF...	C19 H21 Cl N2 O
chemicalCompound:moleculeId	135602
chemicalCompound:mwFreebase	328.836
chemicalCompound:alogp	4.324
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	15.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.484
chemicalCompound:acdLogD	2.068
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	328.836
chemicalCompound:acdMostBpk...	8.666
chemicalCompound:chemblId	CHEMBL315424
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:235602
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1151210, activity:1151211, activity:1151212, activity:1151213, activity:1151214